ArticleInternational journal of molecular medicine2017
Cyclocurcumin, a curcumin derivative, exhibits immune-modulating ability and is a potential compound for the treatment of rheumatoid arthritis as predicted by the MM-PBSA method.
Article in International journal of molecular medicine, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Who cites it
8 citing papers in PubMed, 35 citations in OpenAlex.
- Advances in Nanocarrier Systems for Overcoming Formulation Challenges of Curcumin: Current Insights.Nanomaterials (Basel, Switzerland) · 2024Review
- Cyclocurcumin as Promising Bioactive Natural Compound: An Overview.Molecules (Basel, Switzerland) · 2024Review
- To Explore the Putative Molecular Targets of Diabetic Nephropathy and their Inhibition Utilizing Potential Phytocompounds.Current medicinal chemistry · 2024Review
- Two-carbon tethered artemisinin-isatin hybrids: design, synthesis, anti-breast cancer potential, andFrontiers in molecular biosciences · 2023Article
- Impacts of turmeric and its principal bioactive curcumin on human health: Pharmaceutical, medicinal, and food applications: A comprehensive review.Frontiers in nutrition · 2022Review
- Biomedical Applications and Bioavailability of Curcumin-An Updated Overview.Pharmaceutics · 2021Review
- Pharmacokinetics and tissue distribution of hydrazinocurcumin in rats.Pharmacological reports : PR · 2021Article
- Inhibitory effects of curcumin and cyclocurcumin in 1-methyl-4-phenylpyridinium (MPPScientific reports · 2017Article
Corrections and comments
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Authors and funding
5 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The control and treatment of rheumatoid arthritis is a challenge in today's world. Therefore, the pursuit of natural disease-modifying antirheumatic drugs (DMRDs) remains a top priority in rheumatology. The present study focused on curcumin and its derivatives in the search for new DMRDs. We focused on prominent p38 mitogen-activated protein (MAP) kinase p38α which is a prime regulator of tumor necrosis factor-α (TNF-α), a key mediator of rheumatoid arthritis. In the present study, we used the X-ray crystallographic structure of p38α for molecular docking simulations and molecular dynamic simulations to study the binding modes of curcumin and its derivatives with the active site of p38α. The ATP-binding domain was used for evaluating curcumin and its derivatives. Molecular docking simulation results were used to select 4 out of 8 compounds. These 4 compounds were simulated using GROMACS molecular simulation platform; the results generated were subjected to molecular mechanics-Poisson Boltzmann surface area (MM-PBSA) calculations. The results showed cyclocurcumin as a potential natural compound for development of a potent DMRD. These data were further supported by inhibition of TNF-α release from lipopolysaccharide (LPS)-stimulated human macrophages following cyclocurcumin treatment.
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